methyl 2-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1-methylpyrazol-4-yl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C=N1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H16N4O3S/c1-24-12-13(11-22-24)8-15(10-21)18(25)23-19-16(20(26)27-2)9-17(28-19)14-6-4-3-5-7-14/h3-9,11-12H,1-2H3,(H,23,25)/b15-8+